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CAS Num: 002785-87-7

SMILES : O(c(c(O)ccc1CCC)c1)C

CHEM : Phenol, 2-methoxy-4-propyl-

MOL FOR: C10 H14 O2

MOL WT : 166.22

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 2.87

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 265.51 (Adapted Stein & Brown method)

Melting Pt (deg C): 61.64 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00213 (Modified Grain method)

VP (Pa, 25 deg C) : 0.283 (Modified Grain method)

Subcooled liquid VP: 0.00467 mm Hg (25 deg C, Mod-Grain method)

: 0.622 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 228

log Kow used: 2.87 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 958.61 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 6.45E-008 atm-m3/mole (6.54E-003 Pa-m3/mole)

Group Method: 1.25E-006 atm-m3/mole (1.27E-001 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.043E-006 atm-m3/mole (2.070E-001 Pa-m3/mole)

VP: 0.00213 mm Hg (source: MPBPVP)

WS: 228 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 2.87 (KowWin est)

Log Kaw used: -5.579 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.449

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9708

Biowin2 (Non-Linear Model) : 0.9877

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7553 (weeks )

Biowin4 (Primary Survey Model) : 3.6562 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4963

Biowin6 (MITI Non-Linear Model): 0.5603

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5536

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.623 Pa (0.00467 mm Hg)

Log Koa (Koawin est ): 8.449

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 4.82E-006

Octanol/air (Koa) model: 6.9E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000174

Mackay model : 0.000385

Octanol/air (Koa) model: 0.00549

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 40.2203 E-12 cm3/molecule-sec

Half-Life = 0.266 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.191 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.00028 (Junge-Pankow, Mackay avg)

0.00549 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 682.8 L/kg (MCI method)

Log Koc: 2.834 (MCI method)

Koc : 543.7 L/kg (Kow method)

Log Koc: 2.735 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.559 (BCF = 36.21 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8969 days (HL = 0.1268 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.486 (BCF = 30.61)

Log BAF Arnot-Gobas method (upper trophic) = 1.486 (BAF = 30.61)

log Kow used: 2.87 (estimated)

Volatilization from Water:

Henry LC: 1.25E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 605.2 hours (25.22 days)

Half-Life from Model Lake : 6710 hours (279.6 days)

Removal In Wastewater Treatment:

Total removal: 4.79 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 4.61 percent

Total to Air: 0.07 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.594 6.38 1000

Water 24.8 360 1000

Soil 74 720 1000

Sediment 0.632 3.24e+003 0

Persistence Time: 467 hr

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